General Information of the Compound
| Compound ID |
CP0517230
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| Compound Name |
US9469631, 95
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| Structure |
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| Formula |
C25H33N3O4
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| Molecular Weight |
439.556
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| Canonical SMILES |
Cc1noc(C)c1-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H33N3O4/c1-16-22(17(2)32-26-16)18-6-8-19(9-7-18)23(29)28(20-10-11-20)21-12-14-27(15-13-21)24(30)31-25(3,4)5/h6-9,20-21H,10-15H2,1-5H3
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| InChIKey |
ZWKPIROPUJMEHO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound